(4R)-4-hexyl-1,3-dioxolan-2-one

C9H16O3 — CID 15403459

IUPAC(4R)-4-hexyl-1,3-dioxolan-2-one
SMILESCCCCCC[C@@H]1COC(=O)O1
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyKVOZCZVWECMVDU-MRVPVSSYSA-N
MW172.22 g/mol
LogP2.49
Rot. Bonds5

About (4R)-4-hexyl-1,3-dioxolan-2-one

(4R)-4-hexyl-1,3-dioxolan-2-one (PubChem CID 15403459) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4R)-4-hexyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-hexyl-1,3-dioxolan-2-one
PubChem CID15403459
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4R)-4-hexyl-1,3-dioxolan-2-one
SMILESCCCCCC[C@@H]1COC(=O)O1
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyKVOZCZVWECMVDU-MRVPVSSYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-4-hexyl-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
4-butyl-1,3-dioxolan-2-one
CID 162009451
4-hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl-1,3-dioxolan-2-one;4-hexacosyl-1,3-dioxolan-2-one
CID 162277518
4-dodecyloxetan-2-one
CID 90110174
(2E)-2-ethylidene-4-hexyl-1,3-dioxolane
CID 70507819
4-[5-[4-(4-pentylcyclohexyl)phenoxy]pentyl]-1,3-dioxolan-2-one
CID 102110649
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
(4R,6R)-4-(iodomethyl)-6-tridecyl-1,3-dioxan-2-one
CID 46830433
hexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
CID 87125752
5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate
CID 59566554
4-hexyl-6-methylidene-1,3-dioxan-2-one
CID 89424996

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hexyl-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-hexyl-1,3-dioxolan-2-one (CID 15403459) is (4R)-4-hexyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-hexyl-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-hexyl-1,3-dioxolan-2-one is CCCCCC[C@@H]1COC(=O)O1.
What is the InChIKey of (4R)-4-hexyl-1,3-dioxolan-2-one?
The InChIKey is KVOZCZVWECMVDU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-4-hexyl-1,3-dioxolan-2-one?
(4R)-4-hexyl-1,3-dioxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hexyl-1,3-dioxolan-2-one is sourced from PubChem (CID 15403459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).